1-[2-(dimethylamino)ethyl]-2-methylimidazole-4-sulfonyl chloride

C8H14ClN3O2S — CID 82913371

IUPAC1-[2-(dimethylamino)ethyl]-2-methylimidazole-4-sulfonyl chloride
SMILESCc1nc(S(=O)(=O)Cl)cn1CCN(C)C
InChIInChI=1S/C8H14ClN3O2S/c1-7-10-8(15(9,13)14)6-12(7)5-4-11(2)3/h6H,4-5H2,1-3H3
InChIKeyXHBOIQREFZZEPC-UHFFFAOYSA-N
MW251.74 g/mol
LogP0.68
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-2-methylimidazole-4-sulfonyl chloride

1-[2-(dimethylamino)ethyl]-2-methylimidazole-4-sulfonyl chloride (PubChem CID 82913371) has the molecular formula C8H14ClN3O2S and a molecular weight of 251.74 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2-methylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2-methylimidazole-4-sulfonyl chloride
PubChem CID82913371
Molecular FormulaC8H14ClN3O2S
Molecular Weight251.74 g/mol
Exact Mass251.05
IUPAC Name1-[2-(dimethylamino)ethyl]-2-methylimidazole-4-sulfonyl chloride
SMILESCc1nc(S(=O)(=O)Cl)cn1CCN(C)C
InChIInChI=1S/C8H14ClN3O2S/c1-7-10-8(15(9,13)14)6-12(7)5-4-11(2)3/h6H,4-5H2,1-3H3
InChIKeyXHBOIQREFZZEPC-UHFFFAOYSA-N
XLogP0.68
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2-methylimidazole-4-sulfonyl chloride?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2-methylimidazole-4-sulfonyl chloride (CID 82913371) is 1-[2-(dimethylamino)ethyl]-2-methylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2-methylimidazole-4-sulfonyl chloride?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2-methylimidazole-4-sulfonyl chloride is Cc1nc(S(=O)(=O)Cl)cn1CCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2-methylimidazole-4-sulfonyl chloride?
The InChIKey is XHBOIQREFZZEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O2S/c1-7-10-8(15(9,13)14)6-12(7)5-4-11(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-2-methylimidazole-4-sulfonyl chloride?
1-[2-(dimethylamino)ethyl]-2-methylimidazole-4-sulfonyl chloride has a molecular weight of 251.74 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2-methylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 82913371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).